MassBank Record: OUF00019

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Ethanolamine; GC-EI-TOF; MS; n TMS; RT:420.944 sec

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: OUF00019
RECORD_TITLE: Ethanolamine; GC-EI-TOF; MS; n TMS; RT:420.944 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: Ethanolamine
CH$NAME: 2-Aminoethanol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C2H7NO
CH$EXACT_MASS: 61.05275999999999925194060779176652431488037109375
CH$SMILES: NCCO
CH$IUPAC: InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
CH$LINK: CAS 141-43-5
CH$LINK: CHEBI 16000
CH$LINK: CHEMSPIDER 13835336
CH$LINK: COMPTOX DTXSID6022000
CH$LINK: INCHIKEY HZAXFHJVJLSVMW-UHFFFAOYSA-N

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1259.819
AC$CHROMATOGRAPHY: RETENTION_TIME 420.944 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-00di-1900000000-d731dd07c2dfa0287f5f
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  85 10 10
  86 378 378
  87 46 46
  88 28 28
  89 16 16
  90 2 2
  91 1 1
  98 3 3
  99 7 7
  100 393 393
  101 56 56
  102 62 62
  103 28 28
  104 5 5
  105 7 7
  106 1 1
  112 1 1
  113 10 10
  114 53 53
  115 27 27
  116 26 26
  117 36 36
  118 9 9
  119 16 16
  120 2 2
  121 1 1
  128 2 2
  129 5 5
  130 67 67
  131 57 57
  132 17 17
  133 116 116
  134 17 17
  135 9 9
  136 1 1
  142 2 2
  143 2 2
  144 11 11
  145 4 4
  146 8 8
  147 213 213
  148 34 34
  149 17 17
  150 2 2
  156 1 1
  158 12 12
  159 4 4
  160 3 3
  161 1 1
  170 1 1
  171 1 1
  172 25 25
  173 7 7
  174 999 999
  175 183 183
  176 83 83
  177 10 10
  178 2 2
  186 1 1
  187 2 2
  188 14 14
  189 4 4
  190 3 3
  204 3 3
  205 1 1
  246 1 1
  262 18 18
  263 5 5
  264 2 2
//